Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21801221 | 1.00 | SIGMAR1 (0.47) | SIGMAR1ABCB1MAOBCYP2D6CYSLTR1 | |
| SCHEMBL21801191 | 0.89 | CYSLTR1 (0.45) | SIGMAR1ABCB1MAOBCYP2D6CYSLTR1 | |
| SCHEMBL21801081 | 0.89 | CYSLTR1 (0.45) | SIGMAR1ABCB1MAOBCYP2D6CYSLTR1 | |
| SCHEMBL21801083 | 0.89 | CYSLTR1 (0.45) | SIGMAR1ABCB1MAOBCYP2D6CYSLTR1 | |
| SCHEMBL26672824 | 0.89 | SIGMAR1 (0.45) | SIGMAR1ABCB1MAOBCYP2D6CYSLTR1 | |
| SCHEMBL30744100 | 0.89 | SIGMAR1 (0.45) | SIGMAR1ABCB1MAOBCYP2D6CYSLTR1 | |
| SCHEMBL21801189 | 0.89 | SIGMAR1 (0.45) | SIGMAR1ABCB1MAOBCYP2D6CYSLTR1 | |
| SCHEMBL21801232 | 0.88 | MAOB (0.44) | SIGMAR1ABCB1MAOBCYP2D6CYSLTR1 | |
| SCHEMBL21801131 | 0.87 | CYSLTR1 (0.43) | SIGMAR1ABCB1MAOBCYP2D6CYSLTR1 | |
| SCHEMBL21801130 | 0.86 | MAOB (0.45) | SIGMAR1ABCB1MAOBCYP2D6CYSLTR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112601743-B | Flavone compounds for the treatment and prevention of hepatitis b virus diseases | 豪夫迈·罗氏有限公司 | 2023-12-19 | — | — | CN | disclosed |